General Information of the Compound
| Compound ID |
CP0493804
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| Compound Name |
((2R,3R,4S)-2-ethyl-3-methyl-4-(methyl(phenyl)amino)-3,4-dihydroquinolin-1(2H)-yl)(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
CC[C@@H]1[C@@H](C)[C@H](N(C)c2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H30N2O2/c1-5-24-19(2)26(28(3)21-11-7-6-8-12-21)23-13-9-10-14-25(23)29(24)27(30)20-15-17-22(31-4)18-16-20/h6-19,24,26H,5H2,1-4H3/t19-,24-,26+/m1/s1
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| InChIKey |
XHTKSRRFPAXFNI-OXTYCOSGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound